1H-benzimidazol-2-ylsulfanylmethyl-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-(phenylmethyl)azanium

Systemtic Name: 1H-benzimidazol-2-ylsulfanylmethyl-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-(phenylmethyl)azanium Openeye Name: 1H-benzimidazol-2-ylsulfanylmethyl-benzyl-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]ammonium CAS Name: (1H-benzimidazol-2-ylthio)methyl-[1-[(4-methoxyanilino)-oxomethyl]cyclohexyl]-(phenylmethyl)ammonium IUPAC Name: 1H-benzimidazol-2-ylsulfanylmethyl-benzyl-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]azanium Traditional Name: (1H-benzimidazol-2-ylthio)methyl-benzyl-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]ammonium Formula: C29H33N4O2S+ MolecularWeight: 501.66292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)[NH+](CC3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)[NH+](CC3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C29H32N4O2S/c1-35-24-16-14-23(15-17-24)30-27(34)29(18-8-3-9-19-29)33(20-22-10-4-2-5-11-22)21-36-28-31-25-12-6-7-13-26(25)32-28/h2,4-7,10-17H,3,8-9,18-21H2,1H3,(H,30,34)(H,31,32)/p+1